These tools will no longer be maintained as of December 31, 2024. Archived website can be found here. PubMed4Hh GitHub repository can be found here. Contact NLM Customer Service if you have questions.


BIOMARKERS

Molecular Biopsy of Human Tumors

- a resource for Precision Medicine *

146 related articles for article (PubMed ID: 23758394)

  • 1. Zinc oxide nanotubes: an ab initio investigation of their structural, vibrational, elastic, and dielectric properties.
    Lacivita V; Erba A; Noël Y; Orlando R; D'Arco P; Dovesi R
    J Chem Phys; 2013 Jun; 138(21):214706. PubMed ID: 23758394
    [TBL] [Abstract][Full Text] [Related]  

  • 2. The electronic structure of MgO nanotubes. An ab initio quantum mechanical investigation.
    El-Kelany KE; Ferrabone M; Rérat M; Carbonnière P; Zicovich-Wilson CM; Dovesi R
    Phys Chem Chem Phys; 2013 Aug; 15(32):13296-303. PubMed ID: 23657356
    [TBL] [Abstract][Full Text] [Related]  

  • 3. The vibration properties of the (n,0) boron nitride nanotubes from ab initio quantum chemical simulations.
    Erba A; Ferrabone M; Baima J; Orlando R; Rérat M; Dovesi R
    J Chem Phys; 2013 Feb; 138(5):054906. PubMed ID: 23406148
    [TBL] [Abstract][Full Text] [Related]  

  • 4. Ab initio investigation of electronic and vibrational contributions to linear and nonlinear dielectric properties of ice.
    Casassa S; Baima J; Mahmoud A; Kirtman B
    J Chem Phys; 2014 Jun; 140(22):224702. PubMed ID: 24929409
    [TBL] [Abstract][Full Text] [Related]  

  • 5. The first and second static electronic hyperpolarizabilities of zigzag boron nitride nanotubes. An ab initio approach through the coupled perturbed Kohn-Sham scheme.
    Orlando R; Bast R; Ruud K; Ekström U; Ferrabone M; Kirtman B; Dovesi R
    J Phys Chem A; 2011 Nov; 115(45):12631-7. PubMed ID: 21699207
    [TBL] [Abstract][Full Text] [Related]  

  • 6. Atomistic study of structures and elastic properties of single crystalline ZnO nanotubes.
    Moon W; Hwang H
    Nanotechnology; 2008 Jun; 19(22):225703. PubMed ID: 21825770
    [TBL] [Abstract][Full Text] [Related]  

  • 7. Performance of six functionals (LDA, PBE, PBESOL, B3LYP, PBE0, and WC1LYP) in the simulation of vibrational and dielectric properties of crystalline compounds. The case of forsterite Mg2SiO4.
    De la Pierre M; Orlando R; Maschio L; Doll K; Ugliengo P; Dovesi R
    J Comput Chem; 2011 Jul; 32(9):1775-84. PubMed ID: 21469154
    [TBL] [Abstract][Full Text] [Related]  

  • 8. Accurate density functional theory prediction of low-dimensional yttrium nitride: From 2D hexagonal and square monolayers to 1D zizag single walled nanotubes.
    Souissi B; Larbi T; Masri R; Hajjaji A; Doll K; Amlouk M
    Spectrochim Acta A Mol Biomol Spectrosc; 2024 Jan; 304():123434. PubMed ID: 37738765
    [TBL] [Abstract][Full Text] [Related]  

  • 9. Katoite under pressure: an ab initio investigation of its structural, elastic and vibrational properties sheds light on the phase transition.
    Erba A; Navarrete-López AM; Lacivita V; D'Arco P; Zicovich-Wilson CM
    Phys Chem Chem Phys; 2015 Jan; 17(4):2660-9. PubMed ID: 25502836
    [TBL] [Abstract][Full Text] [Related]  

  • 10. Structural, elastic, vibrational and electronic properties of amorphous Al2O3 from ab initio calculations.
    Davis S; Gutiérrez G
    J Phys Condens Matter; 2011 Dec; 23(49):495401. PubMed ID: 22101197
    [TBL] [Abstract][Full Text] [Related]  

  • 11. Anharmonic force field and vibrational dynamics of CH2F2 up to 5000 cm(-1) studied by Fourier transform infrared spectroscopy and state-of-the-art ab initio calculations.
    Tasinato N; Regini G; Stoppa P; Pietropolli Charmet A; Gambi A
    J Chem Phys; 2012 Jun; 136(21):214302. PubMed ID: 22697538
    [TBL] [Abstract][Full Text] [Related]  

  • 12. A study of the size-dependent elastic properties of ZnO nanowires and nanotubes.
    Hu J; Liu XW; Pan BC
    Nanotechnology; 2008 Jul; 19(28):285710. PubMed ID: 21828744
    [TBL] [Abstract][Full Text] [Related]  

  • 13. Investigation of the structural and harmonic vibrational properties of 2-nitro-, 4-nitro- and 5-nitro-m-xylene by ab initio and density functional theory.
    Arjunan V; Balamourougane PS; Saravanan I; Mohan S
    Spectrochim Acta A Mol Biomol Spectrosc; 2009 Oct; 74(3):798-807. PubMed ID: 19716338
    [TBL] [Abstract][Full Text] [Related]  

  • 14. Pressure effects on electronic, elastic, and vibration properties of metallic antiperovskite PbNCa
    Ciftci YO; Evecen M; Alp İO
    J Mol Model; 2021 Jan; 27(1):7. PubMed ID: 33392710
    [TBL] [Abstract][Full Text] [Related]  

  • 15. DFT study of structural, elastic, electronic and dielectric properties of blue phosphorus nanotubes.
    Hao J; Wang Z; Jin Q
    Sci Rep; 2019 Aug; 9(1):11264. PubMed ID: 31375733
    [TBL] [Abstract][Full Text] [Related]  

  • 16. Elastic and vibrational properties of group IV semiconductors in empirical potential modelling.
    Monteverde U; Migliorato MA; Pal J; Powell D
    J Phys Condens Matter; 2013 Oct; 25(42):425801. PubMed ID: 24065386
    [TBL] [Abstract][Full Text] [Related]  

  • 17. Structure and electronic properties of the double-wall nanotubes constructed from SiO2 nanotubes encapsulated inside zigzag carbon nanotubes.
    Qiao W; Bai H; Zhu Y; Huang Y
    J Phys Condens Matter; 2012 May; 24(18):185302. PubMed ID: 22481241
    [TBL] [Abstract][Full Text] [Related]  

  • 18. Vibrational spectroscopic investigations, ab initio and DFT studies on 7-bromo-5-chloro-8-hydroxyquinoline.
    Arjunan V; Mohan S; Ravindran P; Mythili CV
    Spectrochim Acta A Mol Biomol Spectrosc; 2009 May; 72(4):783-8. PubMed ID: 19112045
    [TBL] [Abstract][Full Text] [Related]  

  • 19. Conformational stability, structural parameters and vibrational assignment from variable temperature infrared spectra of krypton solutions and ab initio calculations of ethylisothiocyanate.
    Durig JR; Zheng C
    Spectrochim Acta A Mol Biomol Spectrosc; 2007 Nov; 68(3):783-95. PubMed ID: 17433767
    [TBL] [Abstract][Full Text] [Related]  

  • 20. The vibrational spectrum of CaCO3 aragonite: a combined experimental and quantum-mechanical investigation.
    Carteret C; De La Pierre M; Dossot M; Pascale F; Erba A; Dovesi R
    J Chem Phys; 2013 Jan; 138(1):014201. PubMed ID: 23298034
    [TBL] [Abstract][Full Text] [Related]  

    [Next]    [New Search]
    of 8.